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189 related items for PubMed ID: 25746419

  • 1. Properties of the liquid-vapor interface of acetone-methanol mixtures, as seen from computer simulation and ITIM surface analysis.
    Idrissi A, Hantal G, Jedlovszky P.
    Phys Chem Chem Phys; 2015 Apr 14; 17(14):8913-26. PubMed ID: 25746419
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  • 3. Properties of free surface of water-methanol mixtures. Analysis of the truly interfacial molecular layer in computer simulation.
    Partay LB, Jedlovszky P, Vincze A, Horvai G.
    J Phys Chem B; 2008 May 01; 112(17):5428-38. PubMed ID: 18393551
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  • 5. Hydrogen bonded structure, polarity, molecular motion and frequency fluctuations at liquid-vapor interface of a water-methanol mixture: an ab initio molecular dynamics study.
    Choudhuri JR, Chandra A.
    J Chem Phys; 2014 Oct 07; 141(13):134703. PubMed ID: 25296824
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  • 6. Molecular dynamics simulation and identification of the truly interfacial molecules (ITIM) analysis of the liquid-vapor interface of dimethyl sulfoxide.
    Darvas M, Pojják K, Horvai G, Jedlovszky P.
    J Chem Phys; 2010 Apr 07; 132(13):134701. PubMed ID: 20387948
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  • 11. Detailed insight into the hydrogen bonding interactions in acetone-methanol mixtures. A molecular dynamics simulation and Voronoi polyhedra analysis study.
    Idrissi A, Polok K, Gadomski W, Vyalov I, Agapov A, Kiselev M, Barj M, Jedlovszky P.
    Phys Chem Chem Phys; 2012 May 07; 14(17):5979-87. PubMed ID: 22446731
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  • 12. Structure, thermodynamics, and liquid-vapor equilibrium of ethanol from molecular-dynamics simulations using nonadditive interactions.
    Patel S, Brooks CL.
    J Chem Phys; 2005 Oct 22; 123(16):164502. PubMed ID: 16268707
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  • 14. Structure of the acetone liquid-vapor interface as seen from Monte Carlo simulations.
    Pártay L, Jedlovszky P, Horvai G.
    J Phys Chem B; 2005 Jun 23; 109(24):12014-9. PubMed ID: 16852482
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  • 16. Structural characterization of interfacial n-octanol and 3-octanol using molecular dynamic simulations.
    Napoleon RL, Moore PB.
    J Phys Chem B; 2006 Mar 02; 110(8):3666-73. PubMed ID: 16494422
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  • 17. Evaluation of surface composition of surface active water-alcohol type mixtures: a comparison of semiempirical models.
    Salonen M, Malila J, Napari I, Laaksonen A.
    J Phys Chem B; 2005 Mar 03; 109(8):3472-9. PubMed ID: 16851381
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  • 19. Ab initio molecular dynamics studies of the liquid-vapor interface of an HCl solution.
    Lee HS, Tuckerman ME.
    J Phys Chem A; 2009 Mar 12; 113(10):2144-51. PubMed ID: 19195992
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  • 20. Halothane solvation in water and organic solvents from molecular simulations with new polarizable potential function.
    Subbotina JO, Johannes J, Lev B, Noskov SY.
    J Phys Chem B; 2010 May 20; 114(19):6401-8. PubMed ID: 20411978
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